#!/bin/bash
#PBS -V
#PBS -r n
#PBS -q g6_q 
#PBS -l select=10:ncpus=8:mpiprocs=4,walltime=10:15:00 
#PBS -N lammps
#PBS -j oe
#PBS -k oe 
date
cd $PBS_O_WORKDIR
pwd
MPD_CON_EXT=`date`
cat $PBS_NODEFILE

mpirun -r ssh -f $PBS_NODEFILE -genv I_MPI_FABRICS shm:ofa -n 80 -perhost 8 ./../lmp_hc -in $input
date
